Počet záznamů: 1
Surface residues dynamically organize water bridges to enhance electron transfer between proteins
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SYSNO ASEP 0352273 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Surface residues dynamically organize water bridges to enhance electron transfer between proteins Tvůrce(i) de la Lande, A. (FR)
Babcock, N. S. (FR)
Řezáč, Jan (UOCHB-X) RID, ORCID
Sanders, B. C. (FR)
Salahub, D. R. (CA)Celkový počet autorů 5 Zdroj.dok. Proceedings of the National Academy of Sciences of the United States of America. - : National Academy of Sciences - ISSN 0027-8424
Roč. 107, č. 26 (2010), s. 11799-11804Poč.str. 6 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova electron transfer ; pathway model ; mutations Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000279332300028 DOI 10.1073/pnas.0914457107 Anotace In this study, we investigate the impact of structural and conformational variations on the electronic coupling between proteins methylamine dehydrogenase and amicyanin from Paracoccus denitrificans. We used molecular dynamics to generate configurations over a duration of 40 ns (sampled at 100-fs intervals) in conjunction with an ET pathway analysis to estimate the ET coupling strength of each configuration. In the wild-type complex, we find that the most frequently occurring molecular configurations afford superior electronic coupling due to the consistent presence of a water molecule hydrogen-bonded between the donor and acceptor sites. We attribute the persistence of this water bridge to a “molecular breakwater” composed of several hydrophobic residues surrounding the acceptor site. When the breakwater is affected by a mutation, bulk solvent molecules disrupt the water bridge, resulting in reduced electronic coupling that is consistent with recent experimental findings. Pracoviště Ústav organické chemie a biochemie Kontakt asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Rok sběru 2011
Počet záznamů: 1